S-[N-(3-Phenylpropyl)(thiocarbamoyl)]-L-cysteine

Catalog No: FT-0673825

CAS No: 137915-13-0

Chemical Name: S-[N-(3-Phenylpropyl)(thiocarbamoyl)]-L-cysteine
Molecular Formula: C13H18N2O2S2
Molecular Weight: 298.4
InChI Key: XMEUXBMTQJJHED-NSHDSACASA-N
InChI: InChI=1S/C13H18N2O2S2/c14-11(12(16)17)9-19-13(18)15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

FW:	298.42400
CAS:	137915-13-0
Melting_Point:	224ºC-225ºC (dec.; lit.)
Bolling_Point:	479.1ºC at 760 mmHg
MF:	C13H18N2O2S2
Product_Name:	(2R)-2-amino-3-(3-phenylpropylcarbamothioylsulfanyl)propanoic acid
Flash_Point:	243.5ºC
Density:	1.29 g/cm3

FW:	298.42400
MF:	C13H18N2O2S2
Flash_Point:	243.5ºC
Refractive_Index:	1.636
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）224-225 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	5.49E-10mmHg at 25°C
Bolling_Point:	479.1ºC at 760 mmHg
Exact_Mass:	298.08100
PSA:	132.74000
Computational_Chemistry:	['1 . XlogP -02 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 8 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 754 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 294 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 1 ', '12. Undefined Atom Stereocenter Count 0 ', '13. Defined Bond Stereocenter Count 0 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
Molecular_Structure:	['1. Molar refractive index 829 ', '2. Molar volume 2312 ', '3. Parachor （902K）6561 ', '4. Surface tension 648 ', '5. Dielectric constant N/A ', '6. Polarizability 3286 ', '7. Single isotope mass 298080968 Da ', '8. Nominal mass 298 Da ', '9. Average mass 2984242 Da']
LogP:	2.73000
Melting_Point:	224ºC-225ºC (dec.; lit.)
Density:	1.29 g/cm3